NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.5826 8.4444 117.3733 54.0814 30.3829 173.9385 7 R 4.3020 8.0964 114.8246 56.5466 29.8827 172.7156 8 L 4.6269 7.6926 121.7145 52.7733 44.4002 176.9211 9 S 4.3189 8.9344 117.9865 58.5148 64.7037 175.4884 10 A 4.0675 8.3905 122.6830 55.0486 18.1061 179.6520 11 E 4.1840 8.0078 118.2977 58.9428 29.5635 179.1389 12 E 3.9451 9.9640 118.7036 59.3342 29.3304 179.4905 13 R 3.8861 7.7256 117.9360 59.4852 29.8540 178.7494 14 D 3.9447 8.3733 117.5021 56.2924 40.9783 177.5893 15 Q 4.0833 8.7750 118.8840 56.9230 28.5732 177.5702 16 L 4.0921 6.1058 125.1243 58.6823 42.5482 178.6900 17 L 4.0470 8.8423 119.7589 57.4072 41.6334 177.6515 18 P 4.2573 0.0000 0.0000 66.4221 30.6781 177.9270 19 N 4.4834 7.5397 113.8972 55.7894 38.6782 177.0974 20 L 4.2824 7.7871 119.7947 57.6247 41.9212 178.7393 21 R 4.7217 8.0808 119.6739 59.0737 29.7076 178.2443 22 A 4.0945 8.4864 119.2331 54.4540 18.3471 178.9479 23 V 4.2483 8.4595 108.8755 60.8250 32.1742 175.6203 24 G 3.3036 7.4077 108.0432 44.9295 0.0000 174.4491 25 W 4.3784 8.2636 121.4599 56.5058 29.8909 175.1084 26 N 5.1841 8.4580 122.1537 51.9048 40.4296 174.5386 27 E 4.7662 8.6636 121.3438 55.8485 30.5584 176.6393 28 L 4.1936 8.5945 124.2830 54.6253 42.8076 177.2967 29 E 4.1258 8.5780 123.6262 58.2424 28.0808 175.1225 30 G 4.1412 8.2639 117.2344 44.9971 0.0000 173.2658 31 R 4.4115 7.5025 116.6425 54.1570 31.5827 176.5751 32 D 4.8157 8.2420 118.8048 52.8781 39.6537 174.6646 33 A 5.5882 8.2890 123.3840 49.2985 23.8192 174.4534 34 I 5.1335 8.5498 112.6676 59.2468 40.8641 174.4382 35 F 6.0787 8.6619 126.5291 55.5221 43.4408 173.6677 36 K 3.1919 5.6600 116.4618 55.3541 34.9388 173.1846 37 Q 4.7193 8.1101 127.2331 55.1654 30.0075 175.2237 38 F 4.5574 9.4116 122.6419 55.8605 41.9095 173.9507 39 H 5.1233 8.5293 120.1657 54.0429 30.9110 173.2278 40 F 4.9859 8.7335 119.4209 55.1620 42.8232 176.0660 41 K 4.1766 8.4590 120.1880 59.7044 32.3383 175.8155 42 D 3.8778 6.9539 115.9002 52.0132 43.2330 175.6594 43 F 4.3229 7.6676 120.5507 61.3256 39.5468 177.5761 44 N 4.1000 8.1609 116.1187 56.5133 38.5474 176.6502 45 R 3.7879 7.5706 118.7980 58.5258 29.9643 178.5965 46 A 3.0044 7.1987 120.1354 54.3973 18.1733 179.2651 47 F 3.9587 7.7637 119.2287 60.6083 39.7627 177.7402 48 G 3.5659 7.5467 104.9061 48.1727 0.0000 175.2979 49 F 4.1600 8.2263 122.8859 61.0188 39.2570 177.3781 50 M 3.5437 7.1383 117.5017 58.4500 31.5588 178.5033 51 T 3.6882 7.6143 116.3647 66.9061 68.3230 176.6873 52 R 3.9699 7.4001 118.7367 59.0971 30.1066 179.2090 53 V 3.8021 7.4953 118.0628 65.6003 31.0839 177.5907 54 A 4.0809 8.5462 121.1609 55.3556 18.0660 178.9448 55 L 3.8601 7.5794 118.3734 58.7654 42.2142 179.2025 56 Q 3.6546 7.7344 118.6536 58.9283 28.7772 178.0270 57 A 3.9429 8.1640 122.3211 55.0685 18.2272 179.5133 58 E 3.8633 7.8385 116.6910 59.4946 29.2784 178.7338 59 K 3.7546 7.4664 118.6481 60.1801 32.2586 178.2800 60 L 4.0179 7.8024 118.6942 54.9267 41.9231 176.5709 61 D 4.2784 7.5865 117.4771 55.1834 40.0066 172.9302 62 H 4.6686 8.4120 116.8730 54.3682 32.0264 171.6504 63 H 4.7162 8.5186 124.4213 52.9320 30.4797 172.9075 64 P 4.4631 0.0000 0.0000 62.7296 32.3446 175.1378 65 E 4.8454 8.4238 118.5208 54.5449 31.5189 174.9417 66 W 6.0752 9.0008 119.9430 55.0197 31.9872 173.6767 67 F 5.2377 9.6236 121.8763 56.8440 42.8670 172.9666 68 N 5.8944 7.3655 120.5443 52.5397 41.9944 171.5415 69 V 3.9725 8.6953 123.1808 63.5117 30.9081 175.2760 70 Y 4.7765 9.4596 118.7054 59.1366 39.8406 175.4805 71 N 5.3694 8.1656 115.1446 52.3685 39.3608 172.8781 72 K 4.7818 8.3523 118.9512 55.4260 34.8070 175.3186 73 V 4.9002 9.5189 126.3224 61.7334 33.9580 173.6766 74 H 5.4923 9.3506 126.3181 54.5734 30.9066 174.4128 75 I 5.3094 8.7972 124.1719 59.9986 39.8215 175.0159 76 T 5.7449 8.8412 122.7002 61.4861 72.5174 173.1556 77 L 4.7483 8.1302 120.9445 54.1634 46.5671 175.0354 78 S 4.9103 7.9883 115.5534 59.3581 65.8327 173.6734 79 T 4.5322 8.0399 117.4263 61.8290 69.4226 174.6123 80 H 4.4276 8.7782 124.8132 59.0926 28.2358 176.2732 81 E 3.8958 7.6339 116.9699 60.0173 29.6609 177.6861 82 C 4.0846 7.9552 118.5024 59.1750 31.0387 173.2760 83 A 3.5929 9.2918 123.3625 50.9952 15.4795 175.7398 84 G 4.3162 7.6446 111.0997 42.9473 0.0000 169.8565 85 L 4.1182 8.0905 119.3774 55.4555 41.8734 177.5202 86 S 4.7656 10.0100 118.5560 55.6774 66.0614 174.6919 87 E 3.9137 8.7232 119.3474 59.6831 28.9108 179.8197 88 R 3.8377 7.5053 115.4029 58.9201 29.2074 178.8323 89 D 4.1117 8.0677 119.9927 57.4647 41.0092 178.2919 90 I 3.5768 7.7292 119.6624 64.8311 37.1500 177.9811 91 N 4.2903 8.1626 116.9547 56.1384 38.3835 177.2719 92 L 4.0626 7.7350 121.5173 57.9112 42.2392 178.6348 93 A 3.7843 8.7533 121.8383 55.2229 17.6033 179.7850 94 S 4.1598 8.1137 113.3889 61.0639 62.7847 176.6890 95 F 4.1382 7.7213 122.8080 61.1061 39.2707 177.1347 96 I 3.5906 8.3764 119.8156 64.6399 36.9556 178.0463 97 E 4.2550 8.3203 118.9822 59.7851 29.1888 179.3271 98 Q 3.9693 7.4299 116.8644 59.0843 29.3185 178.1007 99 V 3.6108 7.6895 119.2579 65.3906 31.2813 177.7765 100 A 4.0478 8.2541 120.2431 55.4473 18.4615 179.5242 101 V 3.6270 7.5746 115.0258 65.6807 31.4413 177.4418 102 S 4.4777 8.0245 111.8052 60.3755 63.1340 174.1376 103 M 4.3118 7.8351 118.3061 55.6158 32.8637 176.5853 104 T 4.2564 8.1964 114.7622 64.1061 69.2881 174.3462 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *6 H 8.44 4.58 0.00 2.95 3.05 0.00 7.13 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.10 4.30 0.00 1.89 2.31 0.00 3.01 0.00 0.00 3.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 8 L 7.69 4.63 0.00 1.63 1.55 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.93 4.32 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.39 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.01 4.18 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 12 E 9.96 3.95 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 13 R 7.73 3.89 0.00 1.90 1.98 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 14 D 8.37 3.94 0.00 2.70 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.78 4.08 0.00 2.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 16 L 6.11 4.09 0.00 1.65 1.70 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.84 4.05 0.00 1.65 1.75 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.26 0.00 2.27 2.34 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 19 N 7.54 4.48 0.00 2.82 2.95 0.00 0.00 7.13 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.79 4.28 0.00 1.68 1.67 0.46 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.08 4.72 0.00 2.14 2.04 0.00 3.18 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 22 A 8.49 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.46 4.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.19 0.00 0.00 24 G 7.41 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.26 4.38 0.00 3.20 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.46 5.18 0.00 2.88 2.80 0.00 0.00 6.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.66 4.77 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 28 L 8.59 4.19 0.00 1.80 1.62 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.58 4.13 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 30 G 8.26 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.50 4.41 0.00 1.95 1.97 0.00 3.08 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 D 8.24 4.82 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.29 5.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.55 5.13 2.37 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 1.06 0.00 0.00 35 F 8.66 6.08 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 5.66 3.19 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 37 Q 8.11 4.72 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.45 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 38 F 9.41 4.56 0.00 2.80 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.53 5.12 0.00 2.78 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.73 4.99 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.46 4.18 0.00 1.97 1.84 0.00 1.76 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 42 D 6.95 3.88 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.67 4.32 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.16 4.10 0.00 2.80 2.74 0.00 0.00 7.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.57 3.79 0.00 1.83 1.53 0.00 3.14 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 46 A 7.20 3.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.76 3.96 0.00 1.95 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.55 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.23 4.16 0.00 2.42 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.14 3.54 0.00 1.18 1.28 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.81 0.00 51 T 7.61 3.69 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 52 R 7.40 3.97 0.00 1.89 2.02 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 53 V 7.50 3.80 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.42 0.00 0.00 54 A 8.55 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.58 3.86 0.00 1.95 1.78 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.73 3.65 0.00 2.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 57 A 8.16 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.84 3.86 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 59 K 7.47 3.75 0.00 1.57 1.79 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.42 7.81 60 L 7.80 4.02 0.00 1.60 1.61 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.59 4.28 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.41 4.67 0.00 2.94 2.99 0.00 5.96 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.52 4.72 0.00 3.04 3.09 0.00 5.95 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.46 0.00 1.50 1.71 0.00 3.25 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.86 0.00 65 E 8.42 4.85 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 66 W 9.00 6.08 0.00 3.45 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 9.62 5.24 0.00 3.25 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.37 5.89 0.00 2.65 2.46 0.00 0.00 7.18 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.70 3.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.06 0.00 0.00 70 Y 9.46 4.78 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.17 5.37 0.00 2.95 2.59 0.00 0.00 6.06 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.35 4.78 0.00 1.80 1.78 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.72 1.31 7.81 73 V 9.52 4.90 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.28 0.00 0.00 74 H 9.35 5.49 0.00 3.48 3.60 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.80 5.31 2.19 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 1.27 0.00 0.00 76 T 8.84 5.74 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 77 L 8.13 4.75 0.00 1.64 1.74 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.99 4.91 0.00 3.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.04 4.53 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 80 H 8.78 4.43 0.00 3.09 3.40 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.63 3.90 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 82 C 7.96 4.08 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 9.29 3.59 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.64 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.09 4.12 0.00 1.71 1.65 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 86 S 10.01 4.77 0.00 3.80 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.72 3.91 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 88 R 7.51 3.84 0.00 1.72 2.05 0.00 2.87 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 89 D 8.07 4.11 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.73 3.58 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.82 0.00 0.00 91 N 8.16 4.29 0.00 2.89 2.79 0.00 0.00 6.63 6.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.73 4.06 0.00 1.78 1.68 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.75 3.78 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.11 4.16 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.72 4.14 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.38 3.59 2.39 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 1.07 0.00 0.00 97 E 8.32 4.25 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.74 0.00 98 Q 7.43 3.97 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 99 V 7.69 3.61 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.02 0.00 0.00 100 A 8.25 4.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.57 3.63 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.01 0.00 0.00 102 S 8.02 4.48 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 7.84 4.31 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 104 T 8.20 4.26 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.